ID: ALA2203576
Chembl Id: CHEMBL2203576
PubChem CID: 71459393
Max Phase: Preclinical
Molecular Formula: C14H25N
Molecular Weight: 207.36
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CN(C)C12CC3CC(CC(C3)C1(C)C)C2
Standard InChI: InChI=1S/C14H25N/c1-13(2)12-6-10-5-11(7-12)9-14(13,8-10)15(3)4/h10-12H,5-9H2,1-4H3
Standard InChI Key: KQUHHGWKYAPVIY-UHFFFAOYSA-N
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| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
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| Molecular Weight: 207.36 | Molecular Weight (Monoisotopic): 207.1987 | AlogP: 3.15 | #Rotatable Bonds: 1 |
| Polar Surface Area: 3.24 | Molecular Species: BASE | HBA: 1 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 1 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 10.74 | CX LogP: 3.02 | CX LogD: -0.09 |
| Aromatic Rings: 0 | Heavy Atoms: 15 | QED Weighted: 0.64 | Np Likeness Score: 0.45 |
| 1. Torres E, Fernández R, Miquet S, Font-Bardia M, Vanderlinden E, Naesens L, Vázquez S.. (2012) Synthesis and Anti-influenza A Virus Activity of 2,2-Dialkylamantadines and Related Compounds., 3 (12): [PMID:24900429] [10.1021/ml300279b] |
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